Chemical ID: 5273786

Cn1c2c(cn1)c3nc(nn3cn2)c4ccccc4OC
Chemical ID:
5273786
Name [?]:
None
SMILES [?]:
Cn1c2c(cn1)c3nc(nn3cn2)c4ccccc4OC
InChi [?]:
InChI=1/C14H12N6O/c1-19-13-10(7-16-19)14-17-12(18-20(14)8-15-13)9-5-3-4-6-11(9)21-2/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,16,17,15,18,5,12,14,4,19,9,3,7,13,6,8,10,2,11,20/rA:21nCNCCCNCNCNNCNCCCCCCOC/rB:s1;s2;d3;s4;s2d5;s4;d7;s8;d9;s7s10;s11;s3d12;s9;s14;d15;s16;d17;d14s18;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N6O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.68035
Area:455.21
Solvation:-3.6999
Coulombic:-29.1614
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:280.285
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.81
LogP (Chemaxon):2.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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